N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

C13H11ClN6OS — CID 2446277

IUPACN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1sc(NC(=O)Cn2cnnn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN6OS/c1-8-12(9-2-4-10(14)5-3-9)17-13(22-8)16-11(21)6-20-7-15-18-19-20/h2-5,7H,6H2,1H3,(H,16,17,21)
InChIKeyVODWZVGIDNOOJU-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.40
Rot. Bonds4

About N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 2446277) has the molecular formula C13H11ClN6OS and a molecular weight of 334.79 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID2446277
Molecular FormulaC13H11ClN6OS
Molecular Weight334.79 g/mol
Exact Mass334.04
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1sc(NC(=O)Cn2cnnn2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN6OS/c1-8-12(9-2-4-10(14)5-3-9)17-13(22-8)16-11(21)6-20-7-15-18-19-20/h2-5,7H,6H2,1H3,(H,16,17,21)
InChIKeyVODWZVGIDNOOJU-UHFFFAOYSA-N
XLogP2.40
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2409358
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420018
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155518758
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155547910
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155535295
2-[4-(2-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155552550
4-(2,4-Dichlorophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 548314
2-[4-(3-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155539046
4-(4-Chloro-phenyl)-5-[1,2,4]triazol-1-yl-thiazol-2-ylamine
CID 624007
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 807141
2-((5-(4-chlorophenyl)-1-methyl-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 18569161
2-((5-(4-chlorophenyl)-1-methyl-1H-imidazol-2-yl)thio)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20931500

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 2446277) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is Cc1sc(NC(=O)Cn2cnnn2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is VODWZVGIDNOOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6OS/c1-8-12(9-2-4-10(14)5-3-9)17-13(22-8)16-11(21)6-20-7-15-18-19-20/h2-5,7H,6H2,1H3,(H,16,17,21).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 334.79 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2446277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).